N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine

C19H31NO — CID 81034896

IUPACN-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCOc1ccccc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18-11-6-4-5-9-16(18)13-17-10-7-8-12-19(17)21-3/h7-8,10,12,15-16,18,20H,4-6,9,11,13-14H2,1-3H3
InChIKeyGXSVZNXLPOXAGW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds6

About N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 81034896) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID81034896
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCOc1ccccc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18-11-6-4-5-9-16(18)13-17-10-7-8-12-19(17)21-3/h7-8,10,12,15-16,18,20H,4-6,9,11,13-14H2,1-3H3
InChIKeyGXSVZNXLPOXAGW-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999243
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(2-bromo-5-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027318
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
CID 82791684
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine (CID 81034896) is N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine is COc1ccccc1CC1CCCCCC1CNC(C)C.
What is the InChIKey of N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is GXSVZNXLPOXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)20-14-18-11-6-4-5-9-16(18)13-17-10-7-8-12-19(17)21-3/h7-8,10,12,15-16,18,20H,4-6,9,11,13-14H2,1-3H3.
What are the key properties of N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81034896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).