N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine

C17H27NO — CID 82927515

IUPACN-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OC1CCCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)18-13-15-9-7-8-12-17(15)19-16-10-5-3-4-6-11-16/h7-9,12,14,16,18H,3-6,10-11,13H2,1-2H3
InChIKeyMPORORTYRKSYBL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.29
Rot. Bonds5

About N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine

N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine (PubChem CID 82927515) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
PubChem CID82927515
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OC1CCCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)18-13-15-9-7-8-12-17(15)19-16-10-5-3-4-6-11-16/h7-9,12,14,16,18H,3-6,10-11,13H2,1-2H3
InChIKeyMPORORTYRKSYBL-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
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CID 142580992
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
(2R)-2-[(2-cyclopentyloxyphenyl)methylamino]-2-phenylacetamide
CID 94643427
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1,2-dicyclohexyloxybenzene
CID 67331328

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine (CID 82927515) is N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine is CC(C)NCc1ccccc1OC1CCCCCC1.
What is the InChIKey of N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The InChIKey is MPORORTYRKSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)18-13-15-9-7-8-12-17(15)19-16-10-5-3-4-6-11-16/h7-9,12,14,16,18H,3-6,10-11,13H2,1-2H3.
What are the key properties of N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine?
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 82927515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).