N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine

C18H31NO — CID 105350634

IUPACN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
SMILESCCC(C)OCc1ccc(C(C)CNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16(5)20-13-17-7-9-18(10-8-17)15(4)12-19-11-14(2)3/h7-10,14-16,19H,6,11-13H2,1-5H3
InChIKeyDJTYMRDSTCIEGF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds9

About N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine

N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine (PubChem CID 105350634) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
PubChem CID105350634
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
SMILESCCC(C)OCc1ccc(C(C)CNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16(5)20-13-17-7-9-18(10-8-17)15(4)12-19-11-14(2)3/h7-10,14-16,19H,6,11-13H2,1-5H3
InChIKeyDJTYMRDSTCIEGF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
CID 105349086
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
N-[4-(butan-2-yloxymethyl)phenyl]formamide
CID 123995408
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
butan-2-yloxymethylbenzene;ethane
CID 161043537

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine (CID 105350634) is N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine is CCC(C)OCc1ccc(C(C)CNCC(C)C)cc1.
What is the InChIKey of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine?
The InChIKey is DJTYMRDSTCIEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-16(5)20-13-17-7-9-18(10-8-17)15(4)12-19-11-14(2)3/h7-10,14-16,19H,6,11-13H2,1-5H3.
What are the key properties of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine?
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105350634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).