(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine

C13H18ClNO2 — CID 117392726

IUPAC(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(CN)cc1OC1CCCC1
InChIInChI=1S/C13H18ClNO2/c1-16-13-11(14)6-9(8-15)7-12(13)17-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3
InChIKeyXLTJNINNYINTFV-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.13
Rot. Bonds4

About (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine

(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine (PubChem CID 117392726) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
PubChem CID117392726
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(CN)cc1OC1CCCC1
InChIInChI=1S/C13H18ClNO2/c1-16-13-11(14)6-9(8-15)7-12(13)17-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3
InChIKeyXLTJNINNYINTFV-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-5-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CID 63937215
[3-chloro-5-methoxy-4-(oxan-3-yloxy)phenyl]methanamine
CID 107134207
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
[3-chloro-5-methoxy-4-(oxolan-3-yloxy)phenyl]methanamine
CID 63556548
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
(3-cyclopentyloxy-4-phosphanylphenyl)methanamine
CID 146429559
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
2-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)acetonitrile
CID 84798852

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine (CID 117392726) is (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine is COc1c(Cl)cc(CN)cc1OC1CCCC1.
What is the InChIKey of (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine?
The InChIKey is XLTJNINNYINTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-13-11(14)6-9(8-15)7-12(13)17-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3.
What are the key properties of (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine?
(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine has a molecular weight of 255.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 117392726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).