5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine

C16H26ClNO — CID 106141093

IUPAC5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
SMILESCC(C)(CCCCl)CNCCCOc1ccccc1
InChIInChI=1S/C16H26ClNO/c1-16(2,10-6-11-17)14-18-12-7-13-19-15-8-4-3-5-9-15/h3-5,8-9,18H,6-7,10-14H2,1-2H3
InChIKeyHPHAQTPGUMWSTI-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.09
Rot. Bonds10

About 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine

5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine (PubChem CID 106141093) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
PubChem CID106141093
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
SMILESCC(C)(CCCCl)CNCCCOc1ccccc1
InChIInChI=1S/C16H26ClNO/c1-16(2,10-6-11-17)14-18-12-7-13-19-15-8-4-3-5-9-15/h3-5,8-9,18H,6-7,10-14H2,1-2H3
InChIKeyHPHAQTPGUMWSTI-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
CID 60688858
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpentan-1-amine
CID 106141104
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
CID 65024254

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine?
The IUPAC name of 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine (CID 106141093) is 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine?
The canonical SMILES for 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine is CC(C)(CCCCl)CNCCCOc1ccccc1.
What is the InChIKey of 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine?
The InChIKey is HPHAQTPGUMWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-16(2,10-6-11-17)14-18-12-7-13-19-15-8-4-3-5-9-15/h3-5,8-9,18H,6-7,10-14H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine?
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine is sourced from PubChem (CID 106141093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).