2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline

C18H31NO — CID 63451459

IUPAC2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
SMILESCCCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C18H31NO/c1-6-7-8-9-10-16(5)19-18-12-11-17(13-15(18)4)20-14(2)3/h11-14,16,19H,6-10H2,1-5H3
InChIKeyKKPFNJFBKSJPLQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.55
Rot. Bonds9

About 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline

2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline (PubChem CID 63451459) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
PubChem CID63451459
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
SMILESCCCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C18H31NO/c1-6-7-8-9-10-16(5)19-18-12-11-17(13-15(18)4)20-14(2)3/h11-14,16,19H,6-10H2,1-5H3
InChIKeyKKPFNJFBKSJPLQ-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63450885
N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63451236
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
methyl 4-methyl-3-(octan-2-ylamino)benzoate
CID 43680521
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
2,5-dichloro-4-methyl-N-nonan-2-ylaniline
CID 104726304
4-(difluoromethoxy)-N-heptan-2-ylaniline
CID 43099613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline (CID 63451459) is 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline is CCCCCCC(C)Nc1ccc(OC(C)C)cc1C.
What is the InChIKey of 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline?
The InChIKey is KKPFNJFBKSJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-7-8-9-10-16(5)19-18-12-11-17(13-15(18)4)20-14(2)3/h11-14,16,19H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline?
2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline has a molecular weight of 277.45 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline is sourced from PubChem (CID 63451459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).