(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine

C16H19NO — CID 103739064

IUPAC(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-16(17)13-7-9-14(10-8-13)18-15-6-4-5-12(2)11-15/h4-11,16H,3,17H2,1-2H3/t16-/m0/s1
InChIKeyDYUZBHDPADKKEG-INIZCTEOSA-N
MW241.33 g/mol
LogP4.20
Rot. Bonds4

About (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine

(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine (PubChem CID 103739064) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine
PubChem CID103739064
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-16(17)13-7-9-14(10-8-13)18-15-6-4-5-12(2)11-15/h4-11,16H,3,17H2,1-2H3/t16-/m0/s1
InChIKeyDYUZBHDPADKKEG-INIZCTEOSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine (CID 103739064) is (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccc(Oc2cccc(C)c2)cc1.
What is the InChIKey of (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine?
The InChIKey is DYUZBHDPADKKEG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-16(17)13-7-9-14(10-8-13)18-15-6-4-5-12(2)11-15/h4-11,16H,3,17H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine?
(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103739064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).