1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C17H29NO — CID 105145927

IUPAC1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCCCOc1ccc(C(NCC)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-8-13-19-15-11-9-14(10-12-15)16(18-7-2)17(3,4)5/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyBGCFVQISGOKVCO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 105145927) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID105145927
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCCCOc1ccc(C(NCC)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-8-13-19-15-11-9-14(10-12-15)16(18-7-2)17(3,4)5/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyBGCFVQISGOKVCO-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
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

1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 105146068
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
2-(4-butoxyphenyl)-3,3-dimethylbutanenitrile oxide
CID 118632817
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096
N-[(4-butoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827685
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 105145927) is 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCCCOc1ccc(C(NCC)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is BGCFVQISGOKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-13-19-15-11-9-14(10-12-15)16(18-7-2)17(3,4)5/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 105145927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).