2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine

C16H27NO — CID 112743218

IUPAC2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
SMILESCC(C)C(NCCCOc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(14(3)4)17-11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3
InChIKeyDTZCPWNHUDSSEC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.73
Rot. Bonds8

About 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine

2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine (PubChem CID 112743218) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
PubChem CID112743218
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
SMILESCC(C)C(NCCCOc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(14(3)4)17-11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3
InChIKeyDTZCPWNHUDSSEC-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.73
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

4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 62380024
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine?
The IUPAC name of 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine (CID 112743218) is 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine.
What is the SMILES notation for 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine?
The canonical SMILES for 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine is CC(C)C(NCCCOc1ccccc1)C(C)C.
What is the InChIKey of 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine?
The InChIKey is DTZCPWNHUDSSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(14(3)4)17-11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine?
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine is sourced from PubChem (CID 112743218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).