N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine

C16H27NO — CID 79626256

IUPACN-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
SMILESCCNCC(C)(C)COCCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-17-13-16(2,3)14-18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3
InChIKeyZCDHOHGVYQCJHE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds9

About N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine

N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine (PubChem CID 79626256) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
PubChem CID79626256
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
SMILESCCNCC(C)(C)COCCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-17-13-16(2,3)14-18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3
InChIKeyZCDHOHGVYQCJHE-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.27
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

2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
2,2-dimethyl-3-(3-phenylpropoxy)propane-1-sulfonyl chloride
CID 64999671
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
3-decoxypropylbenzene
CID 150065328
CID 177239843
CID 177239843
CID 177239842
CID 177239842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine (CID 79626256) is N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine is CCNCC(C)(C)COCCCc1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine?
The InChIKey is ZCDHOHGVYQCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-17-13-16(2,3)14-18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine is sourced from PubChem (CID 79626256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).