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

C18H25N — CID 43223708

IUPACN-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccccc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C18H25N/c1-12-5-2-3-6-13(12)11-19-18-10-14-9-17(18)16-8-4-7-15(14)16/h2-3,5-6,14-19H,4,7-11H2,1H3
InChIKeyQFWDLPPZQLTHAF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.91
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43223708) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43223708
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC NameN-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccccc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C18H25N/c1-12-5-2-3-6-13(12)11-19-18-10-14-9-17(18)16-8-4-7-15(14)16/h2-3,5-6,14-19H,4,7-11H2,1H3
InChIKeyQFWDLPPZQLTHAF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.91
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-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62741990
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 79612022
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113
N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43677413

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43223708) is N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cc1ccccc1CNC1CC2CC1C1CCCC21.
What is the InChIKey of N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is QFWDLPPZQLTHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-12-5-2-3-6-13(12)11-19-18-10-14-9-17(18)16-8-4-7-15(14)16/h2-3,5-6,14-19H,4,7-11H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 255.40 g/mol, XLogP of 3.91, 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[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43223708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).