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

C13H18N2 — CID 82364120

IUPAC4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
SMILESCC1=CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-6H,7-10,14H2,1H3
InChIKeyDWNIAUCGTCUUNW-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.42
Rot. Bonds2

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

4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline (PubChem CID 82364120) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
PubChem CID82364120
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
SMILESCC1=CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-6H,7-10,14H2,1H3
InChIKeyDWNIAUCGTCUUNW-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114413205
1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 114462451
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
5-chloro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462450
5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462374
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 114462412
3-bromo-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462333
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59011726
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The IUPAC name of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline (CID 82364120) is 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline is CC1=CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
The InChIKey is DWNIAUCGTCUUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-6H,7-10,14H2,1H3.
What are the key properties of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline?
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline has a molecular weight of 202.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline is sourced from PubChem (CID 82364120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).