N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

C15H23ClN2O2 — CID 60958211

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(C)CN1CCOCC1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-13-9-14(16)3-4-15(13)19-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeySVXILRQFSCMSOU-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.16
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 60958211) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID60958211
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(C)CN1CCOCC1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-13-9-14(16)3-4-15(13)19-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeySVXILRQFSCMSOU-UHFFFAOYSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
CID 43675654
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 119111277

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 60958211) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine is COc1ccc(Cl)cc1CNC(C)CN1CCOCC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is SVXILRQFSCMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-13-9-14(16)3-4-15(13)19-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 298.81 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 60958211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).