N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine

C18H22ClNO — CID 63552535

IUPACN-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(CNCC(C)C)cc2)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)11-20-12-15-4-6-16(7-5-15)21-17-8-9-18(19)14(3)10-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWWIUGKIJYRDSBJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.19
Rot. Bonds6

About N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63552535) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63552535
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(CNCC(C)C)cc2)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)11-20-12-15-4-6-16(7-5-15)21-17-8-9-18(19)14(3)10-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWWIUGKIJYRDSBJ-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63550899
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
CID 67952517
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63551446
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63552535) is N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine is Cc1cc(Oc2ccc(CNCC(C)C)cc2)ccc1Cl.
What is the InChIKey of N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WWIUGKIJYRDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)11-20-12-15-4-6-16(7-5-15)21-17-8-9-18(19)14(3)10-17/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63552535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).