N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

C16H21N — CID 114095751

IUPACN-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCc1ccccc1CNC1C2C3CCC(C3)C12
InChIInChI=1S/C16H21N/c1-10-4-2-3-5-13(10)9-17-16-14-11-6-7-12(8-11)15(14)16/h2-5,11-12,14-17H,6-9H2,1H3
InChIKeyPPXFRWSXDNHICC-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.13
Rot. Bonds3

About N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114095751) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114095751
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCc1ccccc1CNC1C2C3CCC(C3)C12
InChIInChI=1S/C16H21N/c1-10-4-2-3-5-13(10)9-17-16-14-11-6-7-12(8-11)15(14)16/h2-5,11-12,14-17H,6-9H2,1H3
InChIKeyPPXFRWSXDNHICC-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
2-(2-methylphenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097065
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
2-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19383138
2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71502120
9-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 60912773
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114095751) is N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is Cc1ccccc1CNC1C2C3CCC(C3)C12.
What is the InChIKey of N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is PPXFRWSXDNHICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-10-4-2-3-5-13(10)9-17-16-14-11-6-7-12(8-11)15(14)16/h2-5,11-12,14-17H,6-9H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114095751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).