N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine

C14H23N — CID 59419630

IUPACN-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
SMILESCCNCC(C)(C)C(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-15-11-14(3,4)12(2)13-9-7-6-8-10-13/h6-10,12,15H,5,11H2,1-4H3
InChIKeyTVRPWSXIAUXHBX-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.43
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine

N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine (PubChem CID 59419630) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
PubChem CID59419630
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
SMILESCCNCC(C)(C)C(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-15-11-14(3,4)12(2)13-9-7-6-8-10-13/h6-10,12,15H,5,11H2,1-4H3
InChIKeyTVRPWSXIAUXHBX-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-dimethyl-3-phenylbutanamide
CID 59419624
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
2-amino-3-phenylbutan-2-ol
CID 68615274
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
N,N'-diethyl-2-methyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62261442
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine (CID 59419630) is N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine is CCNCC(C)(C)C(C)c1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine?
The InChIKey is TVRPWSXIAUXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-15-11-14(3,4)12(2)13-9-7-6-8-10-13/h6-10,12,15H,5,11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine?
N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine is sourced from PubChem (CID 59419630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).