N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine

C16H27NO — CID 79298179

IUPACN,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccc(C(C)C(NC)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)13(4)16(17-5)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyVUOIJFJNKVYDNL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds7

About N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine

N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine (PubChem CID 79298179) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
PubChem CID79298179
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccc(C(C)C(NC)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)13(4)16(17-5)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyVUOIJFJNKVYDNL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
1-(3-bromo-4-methylpentan-2-yl)-4-propoxybenzene
CID 79298454
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
CID 79298066
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
CID 79298620
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 105146068
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
CID 106830052

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine?
The IUPAC name of N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine (CID 79298179) is N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine.
What is the SMILES notation for N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine?
The canonical SMILES for N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine is CCCOc1ccc(C(C)C(NC)C(C)C)cc1.
What is the InChIKey of N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine?
The InChIKey is VUOIJFJNKVYDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-11-18-15-9-7-14(8-10-15)13(4)16(17-5)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine?
N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine is sourced from PubChem (CID 79298179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).