N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine

C16H27NO — CID 115853346

IUPACN,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(NC)C(C)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)16(17-5)13(4)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyXRHVXQONBLKNCW-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.03
Rot. Bonds7

About N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine

N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine (PubChem CID 115853346) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
PubChem CID115853346
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(NC)C(C)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)16(17-5)13(4)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyXRHVXQONBLKNCW-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
CID 79298179
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
1-(3-bromo-4-methylpentan-2-yl)-4-propoxybenzene
CID 79298454
1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 105146068
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 101191094
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438476

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine?
The IUPAC name of N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine (CID 115853346) is N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine is CCCOc1ccc(C(NC)C(C)C(C)C)cc1.
What is the InChIKey of N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine?
The InChIKey is XRHVXQONBLKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)16(17-5)13(4)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine?
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 115853346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).