N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine

C18H31N — CID 66259751

IUPACN,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
SMILESCCC(C)(C)c1ccc(C(NC)C(C)(C)CC)cc1
InChIInChI=1S/C18H31N/c1-8-17(3,4)15-12-10-14(11-13-15)16(19-7)18(5,6)9-2/h10-13,16,19H,8-9H2,1-7H3
InChIKeyRUFRBLMGVPNTOM-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.07
Rot. Bonds6

About N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine

N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine (PubChem CID 66259751) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
PubChem CID66259751
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
SMILESCCC(C)(C)c1ccc(C(NC)C(C)(C)CC)cc1
InChIInChI=1S/C18H31N/c1-8-17(3,4)15-12-10-14(11-13-15)16(19-7)18(5,6)9-2/h10-13,16,19H,8-9H2,1-7H3
InChIKeyRUFRBLMGVPNTOM-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
CID 66259750
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
N,2,2-trimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105020769
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 107506569
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine (CID 66259751) is N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine is CCC(C)(C)c1ccc(C(NC)C(C)(C)CC)cc1.
What is the InChIKey of N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine?
The InChIKey is RUFRBLMGVPNTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-8-17(3,4)15-12-10-14(11-13-15)16(19-7)18(5,6)9-2/h10-13,16,19H,8-9H2,1-7H3.
What are the key properties of N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine?
N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine is sourced from PubChem (CID 66259751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).