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

C17H27NO — CID 43492157

IUPACN-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-17(14-7-5-6-8-14)15-9-11-16(12-10-15)19-13(2)3/h9-14,17-18H,4-8H2,1-3H3
InChIKeyHLMFRTDDRKIFSZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds6

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

N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43492157) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43492157
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-17(14-7-5-6-8-14)15-9-11-16(12-10-15)19-13(2)3/h9-14,17-18H,4-8H2,1-3H3
InChIKeyHLMFRTDDRKIFSZ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
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-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[cycloheptyl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 105027812
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 43492157) is N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is HLMFRTDDRKIFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-17(14-7-5-6-8-14)15-9-11-16(12-10-15)19-13(2)3/h9-14,17-18H,4-8H2,1-3H3.
What are the key properties of N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43492157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).