2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C14H22ClNO — CID 112591582

IUPAC2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(C)OCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-14(2,3)17-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,16H2,1-3H3
InChIKeyLWPFJKCNIFPXSG-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 112591582) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID112591582
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(C)OCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-14(2,3)17-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,16H2,1-3H3
InChIKeyLWPFJKCNIFPXSG-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 112591582) is 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CC(C)(C)OCCC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is LWPFJKCNIFPXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,3)17-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,16H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 112591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).