2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine

C10H21ClFN — CID 106117217

IUPAC2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine
SMILESCCCC(CCCl)CNCCCF
InChIInChI=1S/C10H21ClFN/c1-2-4-10(5-6-11)9-13-8-3-7-12/h10,13H,2-9H2,1H3
InChIKeyURHUHPUCHPPYJM-UHFFFAOYSA-N
MW209.74 g/mol
LogP2.98
Rot. Bonds9

About 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine

2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine (PubChem CID 106117217) has the molecular formula C10H21ClFN and a molecular weight of 209.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine
PubChem CID106117217
Molecular FormulaC10H21ClFN
Molecular Weight209.74 g/mol
Exact Mass209.13
IUPAC Name2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine
SMILESCCCC(CCCl)CNCCCF
InChIInChI=1S/C10H21ClFN/c1-2-4-10(5-6-11)9-13-8-3-7-12/h10,13H,2-9H2,1H3
InChIKeyURHUHPUCHPPYJM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Chloropropyl)piperidine;hydrochloride
CID 85823862
4-(3-Chloropropyl)piperidine
CID 12096018
4-Chloro-2-fluoro-3,5,6-trimethylpiperidine
CID 123310058
2-Chloro-3-fluoro-4-propan-2-ylpiperidine
CID 130205377
(5R,6S)-5-chloro-6-fluoro-N-methyl-3-propylheptan-1-amine
CID 156524655
3-(2-Chloro-4-methylheptan-3-yl)-3-fluoropyrrolidine
CID 166655146
4-Chloro-3-ethyl-5,5-difluoroazepane
CID 175586618
N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65024571
N-[(2-chlorocyclohexyl)methyl]-2,2-difluoroethanamine
CID 65025224
N-[(2-chlorocyclopentyl)methyl]-2,2-difluoroethanamine
CID 65833469
N-[(2-chlorocyclopentyl)methyl]-2,2,2-trifluoroethanamine
CID 65833660
N-[(2-chlorocyclopentyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65834274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine (CID 106117217) is 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine is CCCC(CCCl)CNCCCF.
What is the InChIKey of 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine?
The InChIKey is URHUHPUCHPPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClFN/c1-2-4-10(5-6-11)9-13-8-3-7-12/h10,13H,2-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine?
2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine has a molecular weight of 209.74 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-(3-fluoropropyl)pentan-1-amine is sourced from PubChem (CID 106117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).