2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine

C14H23NO — CID 104845224

IUPAC2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCC(C)C(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)16-10-9-12(3)14(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,15H2,1-3H3
InChIKeyHMAJJFHRYDWKJV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds6

About 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine

2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine (PubChem CID 104845224) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
PubChem CID104845224
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCC(C)C(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)16-10-9-12(3)14(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,15H2,1-3H3
InChIKeyHMAJJFHRYDWKJV-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845245
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845241
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
1,1-diphenyl-3-propan-2-yloxypropan-2-amine
CID 79574233
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine (CID 104845224) is 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine is CC(C)OCCC(C)C(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is HMAJJFHRYDWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)16-10-9-12(3)14(15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,15H2,1-3H3.
What are the key properties of 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine?
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 104845224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).