N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C14H20N2 — CID 81361412

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cccc([C@H](C)NC2=NCCCC2)c1
InChIInChI=1S/C14H20N2/c1-11-6-5-7-13(10-11)12(2)16-14-8-3-4-9-15-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyOYVUVMFZEUXQFJ-LBPRGKRZSA-N
MW216.33 g/mol
LogP3.23
Rot. Bonds2

About N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 81361412) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID81361412
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cccc([C@H](C)NC2=NCCCC2)c1
InChIInChI=1S/C14H20N2/c1-11-6-5-7-13(10-11)12(2)16-14-8-3-4-9-15-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyOYVUVMFZEUXQFJ-LBPRGKRZSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 81361336
N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508036
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508130
N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81406115
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81347228
N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508912
N-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 7059356
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81397062
N-(1-phenanthren-9-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19771585
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 21395154

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 81361412) is N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is Cc1cccc([C@H](C)NC2=NCCCC2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is OYVUVMFZEUXQFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-6-5-7-13(10-11)12(2)16-14-8-3-4-9-15-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 216.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 81361412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).