N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine

C16H22ClNO — CID 114319363

IUPACN-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCC2CCCC2)c1CNC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-3-7-16(14(15)10-18-13-8-9-13)19-11-12-4-1-2-5-12/h3,6-7,12-13,18H,1-2,4-5,8-11H2
InChIKeyDYZCYLIRYCGDDL-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.16
Rot. Bonds6

About N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114319363) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID114319363
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCC2CCCC2)c1CNC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-3-7-16(14(15)10-18-13-8-9-13)19-11-12-4-1-2-5-12/h3,6-7,12-13,18H,1-2,4-5,8-11H2
InChIKeyDYZCYLIRYCGDDL-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine (CID 114319363) is N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine is Clc1cccc(OCC2CCCC2)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is DYZCYLIRYCGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-6-3-7-16(14(15)10-18-13-8-9-13)19-11-12-4-1-2-5-12/h3,6-7,12-13,18H,1-2,4-5,8-11H2.
What are the key properties of N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).