N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

C19H31NO — CID 63511751

IUPACN-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(C2(CNC(C)(C)C)CCCCCC2)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)20-15-19(12-7-5-6-8-13-19)16-10-9-11-17(14-16)21-4/h9-11,14,20H,5-8,12-13,15H2,1-4H3
InChIKeyYXPGRAKTJUHARF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.68
Rot. Bonds4

About N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 63511751) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID63511751
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(C2(CNC(C)(C)C)CCCCCC2)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)20-15-19(12-7-5-6-8-13-19)16-10-9-11-17(14-16)21-4/h9-11,14,20H,5-8,12-13,15H2,1-4H3
InChIKeyYXPGRAKTJUHARF-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
3-amino-4-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]cyclobut-3-ene-1,2-dione
CID 167876645
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
1-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111109756
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
1-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763388
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
CID 120592015

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 63511751) is N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is COc1cccc(C2(CNC(C)(C)C)CCCCCC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YXPGRAKTJUHARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)20-15-19(12-7-5-6-8-13-19)16-10-9-11-17(14-16)21-4/h9-11,14,20H,5-8,12-13,15H2,1-4H3.
What are the key properties of N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63511751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).