[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine

C16H23ClN2 — CID 114459794

IUPAC[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
SMILESCC(C)(C)C1=CCN(c2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-6,10H,7-9,11,18H2,1-3H3
InChIKeyMXWICCNMPNEQPW-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.98
Rot. Bonds2

About [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine

[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine (PubChem CID 114459794) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
PubChem CID114459794
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
SMILESCC(C)(C)C1=CCN(c2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-6,10H,7-9,11,18H2,1-3H3
InChIKeyMXWICCNMPNEQPW-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.98
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

[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methylsulfanylphenyl]methanamine
CID 114459791
1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine
CID 114460203
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-chlorobenzoic acid
CID 114460457
[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742904
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine
CID 115774295
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine?
The IUPAC name of [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine (CID 114459794) is [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine?
The canonical SMILES for [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine is CC(C)(C)C1=CCN(c2ccc(CN)cc2Cl)CC1.
What is the InChIKey of [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine?
The InChIKey is MXWICCNMPNEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-6,10H,7-9,11,18H2,1-3H3.
What are the key properties of [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine?
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine is sourced from PubChem (CID 114459794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).