N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C19H27N — CID 63477283

IUPACN-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cccc(CCNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H27N/c1-13-4-2-5-14(10-13)8-9-20-19-12-15-11-18(19)17-7-3-6-16(15)17/h2,4-5,10,15-20H,3,6-9,11-12H2,1H3
InChIKeyJCYNBSXLQFZDRL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 63477283) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID63477283
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cccc(CCNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H27N/c1-13-4-2-5-14(10-13)8-9-20-19-12-15-11-18(19)17-7-3-6-16(15)17/h2,4-5,10,15-20H,3,6-9,11-12H2,1H3
InChIKeyJCYNBSXLQFZDRL-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 55062515
N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79537931
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
N-[2-(3-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 62314261
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 63477283) is N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is Cc1cccc(CCNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is JCYNBSXLQFZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-13-4-2-5-14(10-13)8-9-20-19-12-15-11-18(19)17-7-3-6-16(15)17/h2,4-5,10,15-20H,3,6-9,11-12H2,1H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 269.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 63477283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).