N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine

C15H24ClNO — CID 29224434

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1cc(Cl)ccc1OCCC
InChIInChI=1S/C15H24ClNO/c1-3-5-6-9-17-12-13-11-14(16)7-8-15(13)18-10-4-2/h7-8,11,17H,3-6,9-10,12H2,1-2H3
InChIKeyLFWGHHRYOROCFN-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.41
Rot. Bonds9

About N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine

N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine (PubChem CID 29224434) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
PubChem CID29224434
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1cc(Cl)ccc1OCCC
InChIInChI=1S/C15H24ClNO/c1-3-5-6-9-17-12-13-11-14(16)7-8-15(13)18-10-4-2/h7-8,11,17H,3-6,9-10,12H2,1-2H3
InChIKeyLFWGHHRYOROCFN-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine (CID 29224434) is N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine is CCCCCNCc1cc(Cl)ccc1OCCC.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine?
The InChIKey is LFWGHHRYOROCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-5-6-9-17-12-13-11-14(16)7-8-15(13)18-10-4-2/h7-8,11,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine?
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 29224434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).