1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine

C15H22N2 — CID 114066337

IUPAC1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CC=C(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-3-15(16)13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-8,15H,3,9-11,16H2,1-2H3
InChIKeyWOWXDPGXNTWJMS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine

1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine (PubChem CID 114066337) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
PubChem CID114066337
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CC=C(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-3-15(16)13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-8,15H,3,9-11,16H2,1-2H3
InChIKeyWOWXDPGXNTWJMS-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066342
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065949
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine (CID 114066337) is 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccc(N2CC=C(C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine?
The InChIKey is WOWXDPGXNTWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-15(16)13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-8,15H,3,9-11,16H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine?
1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114066337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).