1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine

C12H18ClNO — CID 139899883

IUPAC1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNC(Oc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14-4)15-10-7-5-9(13)6-8-10/h5-8,11,14H,1-4H3
InChIKeyGNXXMSXCKKDMAG-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine

1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine (PubChem CID 139899883) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine
PubChem CID139899883
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNC(Oc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C12H18ClNO/c1-12(2,3)11(14-4)15-10-7-5-9(13)6-8-10/h5-8,11,14H,1-4H3
InChIKeyGNXXMSXCKKDMAG-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenoxy)-N-methylpentan-2-amine
CID 64720466
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
CID 154094550
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 5238898
4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
CID 54771421
1-chloro-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 13222886
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine (CID 139899883) is 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine is CNC(Oc1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine?
The InChIKey is GNXXMSXCKKDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)11(14-4)15-10-7-5-9(13)6-8-10/h5-8,11,14H,1-4H3.
What are the key properties of 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine?
1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 139899883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).