N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine

C17H26ClN3 — CID 114849158

IUPACN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C17H26ClN3/c1-13(2)19-12-14-3-4-15(18)11-17(14)21-9-7-20(8-10-21)16-5-6-16/h3-4,11,13,16,19H,5-10,12H2,1-2H3
InChIKeyBLARFBDHWMHMQL-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.12
Rot. Bonds5

About N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine

N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114849158) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114849158
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C17H26ClN3/c1-13(2)19-12-14-3-4-15(18)11-17(14)21-9-7-20(8-10-21)16-5-6-16/h3-4,11,13,16,19H,5-10,12H2,1-2H3
InChIKeyBLARFBDHWMHMQL-UHFFFAOYSA-N
XLogP3.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114849159
8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114851448
1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 114847185
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-bromophenyl]methyl]propan-2-amine
CID 79929693
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744
N-[[4-chloro-2-(2,2-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 114853783
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine (CID 114849158) is N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Cl)cc1N1CCN(C2CC2)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is BLARFBDHWMHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-13(2)19-12-14-3-4-15(18)11-17(14)21-9-7-20(8-10-21)16-5-6-16/h3-4,11,13,16,19H,5-10,12H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 307.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114849158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).