1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine

C20H31NO — CID 146001154

IUPAC1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCC1CC1
InChIInChI=1S/C20H31NO/c1-16(13-17-7-3-2-4-8-17)21-14-19-9-5-6-10-20(19)22-15-18-11-12-18/h5-6,9-10,16-18,21H,2-4,7-8,11-15H2,1H3
InChIKeyUEXYPVYYPDSVKP-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.92
Rot. Bonds8

About 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 146001154) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID146001154
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCC1CC1
InChIInChI=1S/C20H31NO/c1-16(13-17-7-3-2-4-8-17)21-14-19-9-5-6-10-20(19)22-15-18-11-12-18/h5-6,9-10,16-18,21H,2-4,7-8,11-15H2,1H3
InChIKeyUEXYPVYYPDSVKP-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 73223439
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969
[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate
CID 91178234
1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 69154432

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine (CID 146001154) is 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine is CC(CC1CCCCC1)NCc1ccccc1OCC1CC1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is UEXYPVYYPDSVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-16(13-17-7-3-2-4-8-17)21-14-19-9-5-6-10-20(19)22-15-18-11-12-18/h5-6,9-10,16-18,21H,2-4,7-8,11-15H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 301.47 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 146001154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).