N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline

C16H26N2O2 — CID 115928397

IUPACN-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline
SMILESCOC(C)C(C)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(14(2)19-3)17-16-6-4-15(5-7-16)12-18-8-10-20-11-9-18/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyDCSBLCKKNPEMOQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds6

About N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline

N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline (PubChem CID 115928397) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline
PubChem CID115928397
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline
SMILESCOC(C)C(C)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(14(2)19-3)17-16-6-4-15(5-7-16)12-18-8-10-20-11-9-18/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyDCSBLCKKNPEMOQ-UHFFFAOYSA-N
XLogP2.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
CID 43363279
N-(3-methoxybutan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 115928776
N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline
CID 63946687
4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089964
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 102868409
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
CID 70868401
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline (CID 115928397) is N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline is COC(C)C(C)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is DCSBLCKKNPEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14(2)19-3)17-16-6-4-15(5-7-16)12-18-8-10-20-11-9-18/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline?
N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 278.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 115928397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).