1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol

C15H25NO — CID 78962338

IUPAC1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCc1ccccc1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-4-16(13-15(2,3)17)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,4,8,11-13H2,1-3H3
InChIKeyXGGRYSIBFIDBEY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.71
Rot. Bonds7

About 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol

1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 78962338) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
PubChem CID78962338
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCc1ccccc1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-4-16(13-15(2,3)17)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,4,8,11-13H2,1-3H3
InChIKeyXGGRYSIBFIDBEY-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
CID 110932562
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N-ethyl-N-(3-phenylpropyl)hydroxylamine
CID 146633464
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol (CID 78962338) is 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol is CCN(CCCc1ccccc1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is XGGRYSIBFIDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16(13-15(2,3)17)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,4,8,11-13H2,1-3H3.
What are the key properties of 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol?
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).