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

C19H28N2 — CID 43750113

IUPACN-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCN(C)Cc1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C19H28N2/c1-21(2)12-13-6-3-4-9-18(13)20-19-11-14-10-17(19)16-8-5-7-15(14)16/h3-4,6,9,14-17,19-20H,5,7-8,10-12H2,1-2H3
InChIKeyJLMJEDTXWZWPMY-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.98
Rot. Bonds4

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

N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43750113) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43750113
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCN(C)Cc1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C19H28N2/c1-21(2)12-13-6-3-4-9-18(13)20-19-11-14-10-17(19)16-8-5-7-15(14)16/h3-4,6,9,14-17,19-20H,5,7-8,10-12H2,1-2H3
InChIKeyJLMJEDTXWZWPMY-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43677413
N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503171
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43750113) is N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine is CN(C)Cc1ccccc1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is JLMJEDTXWZWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-21(2)12-13-6-3-4-9-18(13)20-19-11-14-10-17(19)16-8-5-7-15(14)16/h3-4,6,9,14-17,19-20H,5,7-8,10-12H2,1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 284.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43750113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).