N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine

C19H25NO — CID 63496796

IUPACN-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCCc1ccc(OCc2ccccc2CNC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-9-11-19(12-10-16)21-14-18-8-6-5-7-17(18)13-20-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyPGFZRXZXRYFXMM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds7

About N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine

N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine (PubChem CID 63496796) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
PubChem CID63496796
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCCc1ccc(OCc2ccccc2CNC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-9-11-19(12-10-16)21-14-18-8-6-5-7-17(18)13-20-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyPGFZRXZXRYFXMM-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62452453
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine (CID 63496796) is N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine is CCc1ccc(OCc2ccccc2CNC(C)C)cc1.
What is the InChIKey of N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is PGFZRXZXRYFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16-9-11-19(12-10-16)21-14-18-8-6-5-7-17(18)13-20-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine?
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63496796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).