N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine

C18H21NO — CID 43489609

IUPACN-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H21NO/c1-2-19-18(14-8-9-14)15-10-12-17(13-11-15)20-16-6-4-3-5-7-16/h3-7,10-14,18-19H,2,8-9H2,1H3
InChIKeyHWMYEDHMXPMQHI-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.54
Rot. Bonds6

About N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine

N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 43489609) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
PubChem CID43489609
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H21NO/c1-2-19-18(14-8-9-14)15-10-12-17(13-11-15)20-16-6-4-3-5-7-16/h3-7,10-14,18-19H,2,8-9H2,1H3
InChIKeyHWMYEDHMXPMQHI-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine (CID 43489609) is N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Oc2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is HWMYEDHMXPMQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-19-18(14-8-9-14)15-10-12-17(13-11-15)20-16-6-4-3-5-7-16/h3-7,10-14,18-19H,2,8-9H2,1H3.
What are the key properties of N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine?
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).