N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine

C16H22ClNO — CID 79339736

IUPACN-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C=C(CNC2CC2)C(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO/c1-11(2)13(10-18-14-5-6-14)8-12-4-7-16(19-3)15(17)9-12/h4,7-9,11,14,18H,5-6,10H2,1-3H3
InChIKeyCHUCUFRFZIJLHY-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.14
Rot. Bonds6

About N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine

N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 79339736) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID79339736
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C=C(CNC2CC2)C(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO/c1-11(2)13(10-18-14-5-6-14)8-12-4-7-16(19-3)15(17)9-12/h4,7-9,11,14,18H,5-6,10H2,1-3H3
InChIKeyCHUCUFRFZIJLHY-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 83241300
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338918

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine (CID 79339736) is N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine is COc1ccc(C=C(CNC2CC2)C(C)C)cc1Cl.
What is the InChIKey of N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is CHUCUFRFZIJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11(2)13(10-18-14-5-6-14)8-12-4-7-16(19-3)15(17)9-12/h4,7-9,11,14,18H,5-6,10H2,1-3H3.
What are the key properties of N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine?
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).