N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine

C14H22ClNO — CID 114320040

IUPACN-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C14H22ClNO/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyNMBMSKDMCAFCGM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.87
Rot. Bonds7

About N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114320040) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114320040
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C14H22ClNO/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyNMBMSKDMCAFCGM-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
5-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 114320034
4-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114319981
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 114319991
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine (CID 114320040) is N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine is CCCOc1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NMBMSKDMCAFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114320040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).