N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine

C18H21NO — CID 61025702

IUPACN-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-20-18-11-7-16(8-12-18)15-5-3-14(4-6-15)13-19-17-9-10-17/h3-8,11-12,17,19H,2,9-10,13H2,1H3
InChIKeyYTKOGSRCZXCVAC-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.00
Rot. Bonds6

About N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine

N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61025702) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID61025702
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-20-18-11-7-16(8-12-18)15-5-3-14(4-6-15)13-19-17-9-10-17/h3-8,11-12,17,19H,2,9-10,13H2,1H3
InChIKeyYTKOGSRCZXCVAC-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine (CID 61025702) is N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine is CCOc1ccc(-c2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is YTKOGSRCZXCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-20-18-11-7-16(8-12-18)15-5-3-14(4-6-15)13-19-17-9-10-17/h3-8,11-12,17,19H,2,9-10,13H2,1H3.
What are the key properties of N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61025702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).