N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine

C15H24ClNO — CID 63496116

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCc1cc(OC(C)CNCC(C)C)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-14-6-11(3)15(16)12(4)7-14/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyVJWMVPUSTWMFBD-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine

N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 63496116) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID63496116
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
SMILESCc1cc(OC(C)CNCC(C)C)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-14-6-11(3)15(16)12(4)7-14/h6-7,10,13,17H,8-9H2,1-5H3
InChIKeyVJWMVPUSTWMFBD-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228528
N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63498348
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
2-(4-bromo-3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 107726433
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
N-[2-(3,5-dimethylphenoxy)propyl]-3-methylbutan-1-amine
CID 62571370
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
CID 62486274
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
2-(3,4-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62573056
2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63496809

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine (CID 63496116) is N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine is Cc1cc(OC(C)CNCC(C)C)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is VJWMVPUSTWMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)8-17-9-13(5)18-14-6-11(3)15(16)12(4)7-14/h6-7,10,13,17H,8-9H2,1-5H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63496116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).