(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine

C16H16ClF2NO — CID 105018161

IUPAC(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-9(2)21-15-6-4-3-5-10(15)16(20)11-7-14(19)12(17)8-13(11)18/h3-9,16H,20H2,1-2H3
InChIKeyNTPDMTBEICRFBS-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.45
Rot. Bonds4

About (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine

(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018161) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018161
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-9(2)21-15-6-4-3-5-10(15)16(20)11-7-14(19)12(17)8-13(11)18/h3-9,16H,20H2,1-2H3
InChIKeyNTPDMTBEICRFBS-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82772992
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine (CID 105018161) is (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccccc1C(N)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is NTPDMTBEICRFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-9(2)21-15-6-4-3-5-10(15)16(20)11-7-14(19)12(17)8-13(11)18/h3-9,16H,20H2,1-2H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine?
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 311.76 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).