N-butyl-5-(2-chlorophenoxy)pentan-1-amine

C15H24ClNO — CID 2247459

IUPACN-butyl-5-(2-chlorophenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-2-3-11-17-12-7-4-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13H2,1H3
InChIKeyRTPAFFJMRBOJOS-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.28
Rot. Bonds10

About N-butyl-5-(2-chlorophenoxy)pentan-1-amine

N-butyl-5-(2-chlorophenoxy)pentan-1-amine (PubChem CID 2247459) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-butyl-5-(2-chlorophenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-(2-chlorophenoxy)pentan-1-amine
PubChem CID2247459
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-butyl-5-(2-chlorophenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-2-3-11-17-12-7-4-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13H2,1H3
InChIKeyRTPAFFJMRBOJOS-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.28
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

3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-chlorophenoxy)pentan-1-amine?
The IUPAC name of N-butyl-5-(2-chlorophenoxy)pentan-1-amine (CID 2247459) is N-butyl-5-(2-chlorophenoxy)pentan-1-amine.
What is the SMILES notation for N-butyl-5-(2-chlorophenoxy)pentan-1-amine?
The canonical SMILES for N-butyl-5-(2-chlorophenoxy)pentan-1-amine is CCCCNCCCCCOc1ccccc1Cl.
What is the InChIKey of N-butyl-5-(2-chlorophenoxy)pentan-1-amine?
The InChIKey is RTPAFFJMRBOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-2-3-11-17-12-7-4-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-butyl-5-(2-chlorophenoxy)pentan-1-amine?
N-butyl-5-(2-chlorophenoxy)pentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-chlorophenoxy)pentan-1-amine is sourced from PubChem (CID 2247459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).