(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine

C27H29ClN2 — CID 143125120

IUPAC(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(-c2ccc(-c3ccc(Cl)cc3)cn2)cc1)CC1CC1
InChIInChI=1S/C27H29ClN2/c1-2-17-30(20-22-5-6-22)18-3-4-21-7-9-24(10-8-21)27-16-13-25(19-29-27)23-11-14-26(28)15-12-23/h3-4,7-16,19,22H,2,5-6,17-18,20H2,1H3/b4-3+
InChIKeyQHRORWIRPNAJEB-ONEGZZNKSA-N
MW417.00 g/mol
LogP7.20
Rot. Bonds9

About (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine

(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine (PubChem CID 143125120) has the molecular formula C27H29ClN2 and a molecular weight of 417.00 g/mol. Its IUPAC name is (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine
PubChem CID143125120
Molecular FormulaC27H29ClN2
Molecular Weight417.00 g/mol
Exact Mass416.20
IUPAC Name(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(-c2ccc(-c3ccc(Cl)cc3)cn2)cc1)CC1CC1
InChIInChI=1S/C27H29ClN2/c1-2-17-30(20-22-5-6-22)18-3-4-21-7-9-24(10-8-21)27-16-13-25(19-29-27)23-11-14-26(28)15-12-23/h3-4,7-16,19,22H,2,5-6,17-18,20H2,1H3/b4-3+
InChIKeyQHRORWIRPNAJEB-ONEGZZNKSA-N
XLogP7.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.00
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]indol-1-yl]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 59835856
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
CID 164887975
N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
CID 102476940
3-[4-[5-(4-pentylphenyl)-2-pyridinyl]phenyl]prop-2-enenitrile
CID 3988526
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 163540078
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572
2-(3-chlorophenyl)-5-pent-1-enylpyridine
CID 154448702
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine
CID 71200229
4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde
CID 19094948
3-chloro-4-[cyclopropylmethyl(propyl)amino]benzaldehyde
CID 81144951

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine (CID 143125120) is (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine is CCCN(C/C=C/c1ccc(-c2ccc(-c3ccc(Cl)cc3)cn2)cc1)CC1CC1.
What is the InChIKey of (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine?
The InChIKey is QHRORWIRPNAJEB-ONEGZZNKSA-N. The full InChI is InChI=1S/C27H29ClN2/c1-2-17-30(20-22-5-6-22)18-3-4-21-7-9-24(10-8-21)27-16-13-25(19-29-27)23-11-14-26(28)15-12-23/h3-4,7-16,19,22H,2,5-6,17-18,20H2,1H3/b4-3+.
What are the key properties of (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine?
(E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine has a molecular weight of 417.00 g/mol, XLogP of 7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[5-(4-chlorophenyl)-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 143125120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).