(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine

C16H25NO — CID 119107756

IUPAC(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNCCCOC(C)C
InChIInChI=1S/C16H25NO/c1-14(2)18-11-7-10-17-13-15(3)12-16-8-5-4-6-9-16/h4-6,8-9,12,14,17H,7,10-11,13H2,1-3H3/b15-12+
InChIKeyAHONDVCGFNJWSV-NTCAYCPXSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds8

About (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine

(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine (PubChem CID 119107756) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
PubChem CID119107756
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNCCCOC(C)C
InChIInChI=1S/C16H25NO/c1-14(2)18-11-7-10-17-13-15(3)12-16-8-5-4-6-9-16/h4-6,8-9,12,14,17H,7,10-11,13H2,1-3H3/b15-12+
InChIKeyAHONDVCGFNJWSV-NTCAYCPXSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
CID 119108394
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
CID 119123695
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
N'-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108037
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine (CID 119107756) is (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine is C/C(=C\c1ccccc1)CNCCCOC(C)C.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine?
The InChIKey is AHONDVCGFNJWSV-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)18-11-7-10-17-13-15(3)12-16-8-5-4-6-9-16/h4-6,8-9,12,14,17H,7,10-11,13H2,1-3H3/b15-12+.
What are the key properties of (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine?
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine is sourced from PubChem (CID 119107756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).