N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

C14H22ClNO — CID 115664685

IUPACN-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-3-4-12-9-14(12)15-10-11-5-7-13(16-2)8-6-11;/h5-8,12,14-15H,3-4,9-10H2,1-2H3;1H
InChIKeyJOUNULRKXOSXLQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (PubChem CID 115664685) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
PubChem CID115664685
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-3-4-12-9-14(12)15-10-11-5-7-13(16-2)8-6-11;/h5-8,12,14-15H,3-4,9-10H2,1-2H3;1H
InChIKeyJOUNULRKXOSXLQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylcyclopropan-1-amine
CID 103933083
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (CID 115664685) is N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is CCCC1CC1NCc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The InChIKey is JOUNULRKXOSXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-3-4-12-9-14(12)15-10-11-5-7-13(16-2)8-6-11;/h5-8,12,14-15H,3-4,9-10H2,1-2H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 115664685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).