N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine

C16H27N — CID 116931795

IUPACN-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
SMILESCCC(CNC)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-14(12-17-4)11-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyBULTXNSGCZUMDJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.67
Rot. Bonds7

About N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine

N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine (PubChem CID 116931795) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
PubChem CID116931795
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
SMILESCCC(CNC)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-14(12-17-4)11-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyBULTXNSGCZUMDJ-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931822
2-[(4-iodophenyl)methyl]-N-methylpentan-1-amine
CID 65488914
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-(1,3-benzoxazol-6-ylmethyl)-N-methylbutan-1-amine
CID 116931858
N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 116945869

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine (CID 116931795) is N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine is CCC(CNC)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine?
The InChIKey is BULTXNSGCZUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-14(12-17-4)11-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine?
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 116931795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).