N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C19H29NO — CID 107191379

IUPACN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)C1CCCC1C
InChIInChI=1S/C19H29NO/c1-3-12-20-19(18-9-4-6-14(18)2)15-7-5-8-17(13-15)21-16-10-11-16/h5,7-8,13-14,16,18-20H,3-4,6,9-12H2,1-2H3
InChIKeyQYVAOLGYTSULRF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds7

About N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107191379) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107191379
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)C1CCCC1C
InChIInChI=1S/C19H29NO/c1-3-12-20-19(18-9-4-6-14(18)2)15-7-5-8-17(13-15)21-16-10-11-16/h5,7-8,13-14,16,18-20H,3-4,6,9-12H2,1-2H3
InChIKeyQYVAOLGYTSULRF-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
N-[(3-cyclopropyloxyphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105051921
(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107191379) is N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cccc(OC2CC2)c1)C1CCCC1C.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is QYVAOLGYTSULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-12-20-19(18-9-4-6-14(18)2)15-7-5-8-17(13-15)21-16-10-11-16/h5,7-8,13-14,16,18-20H,3-4,6,9-12H2,1-2H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107191379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).