N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine

C16H27NO — CID 62795609

IUPACN,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCOc1ccc(C(CCC(C)C)NC)cc1
InChIInChI=1S/C16H27NO/c1-5-12-18-15-9-7-14(8-10-15)16(17-4)11-6-13(2)3/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyYJRHFTZULZJXQI-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine

N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine (PubChem CID 62795609) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
PubChem CID62795609
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCOc1ccc(C(CCC(C)C)NC)cc1
InChIInChI=1S/C16H27NO/c1-5-12-18-15-9-7-14(8-10-15)16(17-4)11-6-13(2)3/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyYJRHFTZULZJXQI-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
CID 79298179
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine (CID 62795609) is N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine is CCCOc1ccc(C(CCC(C)C)NC)cc1.
What is the InChIKey of N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine?
The InChIKey is YJRHFTZULZJXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-12-18-15-9-7-14(8-10-15)16(17-4)11-6-13(2)3/h7-10,13,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine?
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine is sourced from PubChem (CID 62795609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).