N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine

C19H31NO — CID 63508835

IUPACN-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21-15(2)3/h11-16,19-20H,4-10H2,1-3H3
InChIKeyNRENDWMJIWSEQB-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds6

About N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 63508835) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID63508835
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21-15(2)3/h11-16,19-20H,4-10H2,1-3H3
InChIKeyNRENDWMJIWSEQB-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cycloheptyl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 105027812
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 63508835) is N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is NRENDWMJIWSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21-15(2)3/h11-16,19-20H,4-10H2,1-3H3.
What are the key properties of N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63508835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).