N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine

C14H23NO — CID 95444836

IUPACN,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C14H23NO/c1-5-10-16-13-8-6-12(7-9-13)11-14(2,3)15-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyYKGGHXNXDWCGEV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds6

About N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine

N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine (PubChem CID 95444836) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
PubChem CID95444836
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C14H23NO/c1-5-10-16-13-8-6-12(7-9-13)11-14(2,3)15-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyYKGGHXNXDWCGEV-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
3-[[2-methyl-1-(4-propoxyphenyl)propan-2-yl]amino]propane-1-sulfonic acid
CID 11976815
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
(4-propoxyphenyl)methylhydrazine
CID 53401453
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
CID 113242961
2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
CID 147880525
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
N-(2,3-dichloroprop-2-enyl)-4-propoxyaniline
CID 79167267
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine?
The IUPAC name of N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine (CID 95444836) is N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine is CCCOc1ccc(CC(C)(C)NC)cc1.
What is the InChIKey of N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine?
The InChIKey is YKGGHXNXDWCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-10-16-13-8-6-12(7-9-13)11-14(2,3)15-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine?
N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 95444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).