4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine

C15H25NO2 — CID 62733175

IUPAC4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccc(CNC(C)CCOC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-7-5-14(6-8-15)12-16-13(2)9-11-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyWCGWFPFROMDQCW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds9

About 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine

4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine (PubChem CID 62733175) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
PubChem CID62733175
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccc(CNC(C)CCOC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-7-5-14(6-8-15)12-16-13(2)9-11-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyWCGWFPFROMDQCW-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
4-ethylsulfanyl-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 115660473
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
CID 115683665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine (CID 62733175) is 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine is CCCOc1ccc(CNC(C)CCOC)cc1.
What is the InChIKey of 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is WCGWFPFROMDQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-18-15-7-5-14(6-8-15)12-16-13(2)9-11-17-3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine?
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 62733175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).