[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine

C13H18N2 — CID 82364080

IUPAC[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CC=CCC2)cc1
InChIInChI=1S/C13H18N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h1-2,4-7H,3,8-11,14H2
InChIKeyHUZCMHBLPFCSSV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.91
Rot. Bonds3

About [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine

[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine (PubChem CID 82364080) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine
PubChem CID82364080
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CC=CCC2)cc1
InChIInChI=1S/C13H18N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h1-2,4-7H,3,8-11,14H2
InChIKeyHUZCMHBLPFCSSV-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 70567231
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
1-benzyl-3,6-dihydro-2H-pyridine;tris(3-benzyl-7-oxa-3-azabicyclo[4.1.0]heptane)
CID 162168565
[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine
CID 84794838
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine
CID 145189917
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
(3S)-1-benzyl-3,4,5,8-tetrahydro-2H-azocine-3-carboxamide
CID 28820595
1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenoxy]propan-2-ol
CID 176501729
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine (CID 82364080) is [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine is NCc1ccc(CN2CC=CCC2)cc1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine?
The InChIKey is HUZCMHBLPFCSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h1-2,4-7H,3,8-11,14H2.
What are the key properties of [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine?
[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 82364080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).