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

C19H31NO — CID 81034374

IUPACN-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1cccc(OC)c1
InChIInChI=1S/C19H31NO/c1-3-12-20-15-18-10-6-4-5-9-17(18)13-16-8-7-11-19(14-16)21-2/h7-8,11,14,17-18,20H,3-6,9-10,12-13,15H2,1-2H3
InChIKeyGBVOCFTXZQHIJX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds7

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

N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81034374) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81034374
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1cccc(OC)c1
InChIInChI=1S/C19H31NO/c1-3-12-20-15-18-10-6-4-5-9-17(18)13-16-8-7-11-19(14-16)21-2/h7-8,11,14,17-18,20H,3-6,9-10,12-13,15H2,1-2H3
InChIKeyGBVOCFTXZQHIJX-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
CID 83196318
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine (CID 81034374) is N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1Cc1cccc(OC)c1.
What is the InChIKey of N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is GBVOCFTXZQHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-12-20-15-18-10-6-4-5-9-17(18)13-16-8-7-11-19(14-16)21-2/h7-8,11,14,17-18,20H,3-6,9-10,12-13,15H2,1-2H3.
What are the key properties of N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine?
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81034374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).