(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine

C14H22ClNO — CID 51990119

IUPAC(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cc(Cl)ccc1OC(C)C
InChIInChI=1S/C14H22ClNO/c1-5-11(4)16-9-12-8-13(15)6-7-14(12)17-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3/t11-/m1/s1
InChIKeyDNEQTKHFRLFWIF-LLVKDONJSA-N
MW255.79 g/mol
LogP4.02
Rot. Bonds6

About (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine

(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 51990119) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID51990119
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cc(Cl)ccc1OC(C)C
InChIInChI=1S/C14H22ClNO/c1-5-11(4)16-9-12-8-13(15)6-7-14(12)17-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3/t11-/m1/s1
InChIKeyDNEQTKHFRLFWIF-LLVKDONJSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]heptan-2-amine
CID 43778017
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43230665
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 51990119) is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine is CC[C@@H](C)NCc1cc(Cl)ccc1OC(C)C.
What is the InChIKey of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is DNEQTKHFRLFWIF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-11(4)16-9-12-8-13(15)6-7-14(12)17-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine?
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 51990119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).