N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine

C16H24ClNO — CID 79446366

IUPACN-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-4-11(2)15(10-18-13-6-7-13)14-9-12(17)5-8-16(14)19-3/h5,8-9,11,13,15,18H,4,6-7,10H2,1-3H3
InChIKeyWWIPHCXXAHDBCO-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine

N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 79446366) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
PubChem CID79446366
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-4-11(2)15(10-18-13-6-7-13)14-9-12(17)5-8-16(14)19-3/h5,8-9,11,13,15,18H,4,6-7,10H2,1-3H3
InChIKeyWWIPHCXXAHDBCO-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 114012916
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950593
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
CID 79443918

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine (CID 79446366) is N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine is CCC(C)C(CNC1CC1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is WWIPHCXXAHDBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-11(2)15(10-18-13-6-7-13)14-9-12(17)5-8-16(14)19-3/h5,8-9,11,13,15,18H,4,6-7,10H2,1-3H3.
What are the key properties of N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine?
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 79446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).