N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine

C19H23NO — CID 61034453

IUPACN-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(-c2ccccc2CNC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)21-18-11-7-15(8-12-18)19-6-4-3-5-16(19)13-20-17-9-10-17/h3-8,11-12,14,17,20H,9-10,13H2,1-2H3
InChIKeyAOHBNBKOLAQAFD-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.39
Rot. Bonds6

About N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine

N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61034453) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID61034453
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(-c2ccccc2CNC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)21-18-11-7-15(8-12-18)19-6-4-3-5-16(19)13-20-17-9-10-17/h3-8,11-12,14,17,20H,9-10,13H2,1-2H3
InChIKeyAOHBNBKOLAQAFD-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[2-(furan-3-yl)phenyl]methyl]cyclopropanamine
CID 63948734
N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine
CID 61032911
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine (CID 61034453) is N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine is CC(C)Oc1ccc(-c2ccccc2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is AOHBNBKOLAQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)21-18-11-7-15(8-12-18)19-6-4-3-5-16(19)13-20-17-9-10-17/h3-8,11-12,14,17,20H,9-10,13H2,1-2H3.
What are the key properties of N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).