N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine

C20H25NO — CID 54804998

IUPACN-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(NCC1CC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C20H25NO/c1-16(21-15-18-11-12-18)19-9-5-6-10-20(19)22-14-13-17-7-3-2-4-8-17/h2-10,16,18,21H,11-15H2,1H3
InChIKeyLSVRSTWOZHGNAA-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.37
Rot. Bonds8

About N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine

N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 54804998) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine
PubChem CID54804998
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(NCC1CC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C20H25NO/c1-16(21-15-18-11-12-18)19-9-5-6-10-20(19)22-14-13-17-7-3-2-4-8-17/h2-10,16,18,21H,11-15H2,1H3
InChIKeyLSVRSTWOZHGNAA-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
CID 54807556
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804755
N-[1-(2-pentoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804469
1-(2-hexoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804864
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine (CID 54804998) is N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine is CC(NCC1CC1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is LSVRSTWOZHGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(21-15-18-11-12-18)19-9-5-6-10-20(19)22-14-13-17-7-3-2-4-8-17/h2-10,16,18,21H,11-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine?
N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 54804998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).