N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine

C19H29NO — CID 114519278

IUPACN-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-14-20-19(15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-18-12-13-18/h8-11,15,18-20H,2-7,12-14H2,1H3
InChIKeyAOZOTSQGKZYOSD-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.85
Rot. Bonds7

About N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine

N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine (PubChem CID 114519278) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
PubChem CID114519278
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-14-20-19(15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-18-12-13-18/h8-11,15,18-20H,2-7,12-14H2,1H3
InChIKeyAOZOTSQGKZYOSD-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine (CID 114519278) is N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine?
The InChIKey is AOZOTSQGKZYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-14-20-19(15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-18-12-13-18/h8-11,15,18-20H,2-7,12-14H2,1H3.
What are the key properties of N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine?
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114519278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).