N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine

C18H29NO — CID 63516352

IUPACN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C18H29NO/c1-3-14-19-15-18(12-6-4-5-7-13-18)16-8-10-17(20-2)11-9-16/h8-11,19H,3-7,12-15H2,1-2H3
InChIKeyAGHDUXAYJJNSDK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 63516352) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
PubChem CID63516352
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C18H29NO/c1-3-14-19-15-18(12-6-4-5-7-13-18)16-8-10-17(20-2)11-9-16/h8-11,19H,3-7,12-15H2,1-2H3
InChIKeyAGHDUXAYJJNSDK-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
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-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
CID 146383246
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
CID 146167664
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine (CID 63516352) is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine is CCCNCC1(c2ccc(OC)cc2)CCCCCC1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is AGHDUXAYJJNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-14-19-15-18(12-6-4-5-7-13-18)16-8-10-17(20-2)11-9-16/h8-11,19H,3-7,12-15H2,1-2H3.
What are the key properties of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine?
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 63516352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).