N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine

C12H15Cl2NO — CID 83229356

IUPACN-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine
SMILESClc1cc(Cl)cc(CNOC2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-16-12-3-1-2-4-12/h5-7,12,15H,1-4,8H2
InChIKeyKFRUGGBEYFNFCQ-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.96
Rot. Bonds4

About N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine

N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine (PubChem CID 83229356) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine
PubChem CID83229356
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine
SMILESClc1cc(Cl)cc(CNOC2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-16-12-3-1-2-4-12/h5-7,12,15H,1-4,8H2
InChIKeyKFRUGGBEYFNFCQ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine
CID 83235836
N-cyclopentyloxy-1-(4-methylphenyl)methanamine
CID 83229470
4-[(cyclopentyloxyamino)methyl]phenol
CID 83229024
1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
CID 83229225
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
1-(5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 83228817
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
N-cyclopentyloxy-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 83229552
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine (CID 83229356) is N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine is Clc1cc(Cl)cc(CNOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine?
The InChIKey is KFRUGGBEYFNFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-16-12-3-1-2-4-12/h5-7,12,15H,1-4,8H2.
What are the key properties of N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine?
N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 83229356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).