1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine

C16H17Cl2NO — CID 60907532

IUPAC1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-11(19)7-13-8-14(17)9-15(18)16(13)20-10-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10,19H2,1H3
InChIKeyQIISBHBSWIEHNT-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.46
Rot. Bonds5

About 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine

1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine (PubChem CID 60907532) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
PubChem CID60907532
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-11(19)7-13-8-14(17)9-15(18)16(13)20-10-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10,19H2,1H3
InChIKeyQIISBHBSWIEHNT-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine (CID 60907532) is 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine is CC(N)Cc1cc(Cl)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine?
The InChIKey is QIISBHBSWIEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(19)7-13-8-14(17)9-15(18)16(13)20-10-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10,19H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine?
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine is sourced from PubChem (CID 60907532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).